Dear Prof. Eyvaz ? For ZB CoO supercell it's ok,I can calculate until 16 atoms, no problem. For the other case (4 atoms tetragonal cell), I will try to set up this file using ./exemple25 of Espresso and some other tutorials.
Also, I would like to ask you how your QHA code can be cited ? ? Thank you?? Bests regards Moulay Mazouz D?partement de Physique Universit? des Sciences et de la Technologie d'Oran. USTO. Oran.?Alg?rie http://www.ferhatgroup.com/membres.html ? -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090330/95624b4e/attachment-0001.htm
